UCSF

ZINC33582768

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 32 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.90 6.37 -46.68 0 10 -1 132 437.432 7
Mid Mid (pH 6-8) 0.90 8.69 -65.99 1 10 0 133 438.44 7
Lo Low (pH 4.5-6) 0.90 7.4 -66.29 2 10 1 130 439.448 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )